3-tetradecylbenzene-1,2-disulfonic acid

Systemtic Name: 3-tetradecylbenzene-1,2-disulfonic acid Openeye Name: 3-tetradecylbenzene-1,2-disulfonic acid CAS Name: 3-tetradecylbenzene-1,2-disulfonic acid IUPAC Name: 3-tetradecylbenzene-1,2-disulfonic acid Traditional Name: 3-myristylbenzene-1,2-disulfonic acid Formula: C20H34O6S2 MolecularWeight: 434.61036

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC1=C(C(=CC=C1)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCC1=C(C(=CC=C1)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C20H34O6S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-16-14-17-19(27(21,22)23)20(18)28(24,25)26/h14,16-17H,2-13,15H2,1H3,(H,21,22,23)(H,24,25,26)